methyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate

C20H28N2O4 — CID 75390652

IUPACmethyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)N2CCC(C)(CN3CCOCC3)CC2)c1
InChIInChI=1S/C20H28N2O4/c1-20(15-21-10-12-26-13-11-21)6-8-22(9-7-20)18(23)16-4-3-5-17(14-16)19(24)25-2/h3-5,14H,6-13,15H2,1-2H3
InChIKeyLDZLZAXWZATPJV-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.05
Rot. Bonds4

About methyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate

methyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate (PubChem CID 75390652) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is methyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate
PubChem CID75390652
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Namemethyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)N2CCC(C)(CN3CCOCC3)CC2)c1
InChIInChI=1S/C20H28N2O4/c1-20(15-21-10-12-26-13-11-21)6-8-22(9-7-20)18(23)16-4-3-5-17(14-16)19(24)25-2/h3-5,14H,6-13,15H2,1-2H3
InChIKeyLDZLZAXWZATPJV-UHFFFAOYSA-N
XLogP2.05
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 127248040
[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 124944302
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
methyl 3-[4-(aminomethyl)piperidine-1-carbonyl]benzoate
CID 176515172
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
methyl 3-[4-(2-cyanoethyl)piperazine-1-carbonyl]benzoate
CID 54788465
methyl 3-(4-methyl-1,4-diazepane-1-carbonyl)benzoate
CID 78884953
N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052897
(3-fluoro-4-methoxyphenyl)-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 127248054
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
CID 109052957
methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate
CID 24791164

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate?
The IUPAC name of methyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate (CID 75390652) is methyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate.
What is the SMILES notation for methyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate?
The canonical SMILES for methyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate is COC(=O)c1cccc(C(=O)N2CCC(C)(CN3CCOCC3)CC2)c1.
What is the InChIKey of methyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate?
The InChIKey is LDZLZAXWZATPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-20(15-21-10-12-26-13-11-21)6-8-22(9-7-20)18(23)16-4-3-5-17(14-16)19(24)25-2/h3-5,14H,6-13,15H2,1-2H3.
What are the key properties of methyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate?
methyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate has a molecular weight of 360.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-methyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 75390652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).